BALL::MeanAtomInformationContent Class Reference
#include <BALL/QSAR/simpleDescriptors.h>
Inheritance diagram for BALL::MeanAtomInformationContent:
Public Member Functions | |
Constructors and Destructors | |
| MeanAtomInformationContent () | |
| MeanAtomInformationContent (const MeanAtomInformationContent &maic) | |
| virtual | ~MeanAtomInformationContent () |
Assignment | |
| MeanAtomInformationContent & | operator= (const MeanAtomInformationContent &maic) |
Detailed Description
Atom information content (mean). This is the entropy of the element distribution in the molecule (including implicit hydrogen). Let $n_i$ be the number of occurences of atomic number $i$ in the molecule. Let $p_i = {n_i}{ n_i}$. The value of this descriptor is the negative of the sum over all $i$ of $p_i p_i$.
Definition at line 708 of file simpleDescriptors.h.
Constructor & Destructor Documentation
| BALL::MeanAtomInformationContent::MeanAtomInformationContent | ( | ) |
Default constructor
| BALL::MeanAtomInformationContent::MeanAtomInformationContent | ( | const MeanAtomInformationContent & | maic | ) |
Copy constructor
| virtual BALL::MeanAtomInformationContent::~MeanAtomInformationContent | ( | ) | [virtual] |
Destructor
Member Function Documentation
| MeanAtomInformationContent& BALL::MeanAtomInformationContent::operator= | ( | const MeanAtomInformationContent & | maic | ) |
Assignment operator
